Geometry & MOs

Info

ID:	317804
PubChem CID:	126645807
Reduced:	SN3O6C18H19 (1)
Stoich.:	AB3C6D18E19 (1)
Weight, g/mol:	430.081027
ΔH_f, kcal/mol:	-146.97
Dipole, Da:	6.41
IP(EA), eV:	-9.34(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-4-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)CN2C(=O)COC3=C2C=C(C=C3)C(=O)NO

DOS

IR

Vibrations